UCSF

ZINC37012026

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.83 4.54 -47.91 3 5 1 62 235.311 4
Hi High (pH 8-9.5) 0.83 3.1 -10.59 2 5 0 57 234.303 4
Mid Mid (pH 6-8) 0.83 4.72 -85.47 4 5 2 63 236.319 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )